{4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-(4-methoxyphenyl)pyrimidin-5-yl}(4-ethylpiperazin-1-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-(4-methoxyphenyl)pyrimidin-5-yl}(4-ethylpiperazin-1-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-(4-methoxyphenyl)pyrimidin-5-yl}(4-ethylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V028-0247 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)oxy]-2-(4-methoxyphenyl)pyrimidin-5-yl}(4-ethylpiperazin-1-yl)methanone |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C25 H26 N4 O5 |
| Smiles: | CCN1CCN(CC1)C(c1cnc(c2ccc(cc2)OC)nc1Oc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3835 |
| logD: | 3.2073 |
| logSw: | -3.5317 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.409 |
| InChI Key: | VJNGIBDGNLSWSW-UHFFFAOYSA-N |